4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide

C19H25F3N2O3 — CID 129238336

IUPAC4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCNC(=O)C(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C19H25F3N2O3/c1-18(2,3)15(17(26)23-4)24-16(25)12-7-8-13(11-5-6-11)14(9-12)27-10-19(20,21)22/h7-9,11,15H,5-6,10H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyYBNXHCYTSOTVLN-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.40
Rot. Bonds6

About 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide

4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 129238336) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID129238336
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCNC(=O)C(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C19H25F3N2O3/c1-18(2,3)15(17(26)23-4)24-16(25)12-7-8-13(11-5-6-11)14(9-12)27-10-19(20,21)22/h7-9,11,15H,5-6,10H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyYBNXHCYTSOTVLN-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide (CID 129238336) is 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide is CNC(=O)C(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is YBNXHCYTSOTVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-18(2,3)15(17(26)23-4)24-16(25)12-7-8-13(11-5-6-11)14(9-12)27-10-19(20,21)22/h7-9,11,15H,5-6,10H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide?
4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 386.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 129238336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).